BZ-TYR-PNA(6154-45-6) MS

Molecular FormulaC22H19N3O5

Molecular Weight405.4

InChIInChI=1/C22H19N3O5/c26-19-12-6-15(7-13-19)14-20(24-21(27)16-4-2-1-3-5-16)22(28)23-17-8-10-18(11-9-17)25(29)30/h1-13,20,26H,14H2,(H,23,28)(H,24,27)/t20-/s3

InChIKey CJERUMAUMMIPRF-XKGZFIRZNA-N

Smiles[C@@H](NC(=O)C1=CC=CC=C1)(C(=O)NC1C=CC([N+]([O-])=O)=CC=1)CC1C=CC(O)=CC=1 |&1:0,r|

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IR1

IR2

Mass

MS-IW-2413          
N-benzoyl-L-tyrosine p-nitroanilide
C22H19N3O5          (Mass of molecular ion:    405)

   Source Temperature: 180 °C
   Sample Temperature: 250 °C
   Direct, 75 eV

      28.0       1.8
      39.0       1.8
      50.0       1.3
      51.0       4.3
      52.0       1.5
      53.0       1.0
      63.0       1.2
      65.0       3.5
      76.0       1.9
      77.0      34.2
      78.0       3.9
      79.0       1.5
      91.0       2.1
      92.0       2.2
     104.0       1.2
     105.0     100.0
     106.0       9.9
     107.0      48.6
     108.0      10.9
     119.0       2.1
     120.0       2.6
     122.0      43.1
     123.0       3.5
     133.0       1.0
     134.0       1.6
     138.0       3.5
     139.0       2.6
     146.0       1.1
     147.0      64.6
     148.0       6.6
     161.0       9.2
     162.0       1.3
     239.0       3.8
     240.0       6.1
     241.0       1.0
     283.0       4.1
     284.0      15.1
     285.0       2.7
     299.0       2.6
     405.0       1.2

KBr disc

nujol mull

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